1-fluoro-3-methoxypropan-1-amine

C4H10FNO — CID 151122327

IUPAC1-fluoro-3-methoxypropan-1-amine
SMILESCOCCC(N)F
InChIInChI=1S/C4H10FNO/c1-7-3-2-4(5)6/h4H,2-3,6H2,1H3
InChIKeyMSLIEYAOVJBTBX-UHFFFAOYSA-N
MW107.13 g/mol
LogP0.28
Rot. Bonds3

About 1-fluoro-3-methoxypropan-1-amine

1-fluoro-3-methoxypropan-1-amine (PubChem CID 151122327) has the molecular formula C4H10FNO and a molecular weight of 107.13 g/mol. Its IUPAC name is 1-fluoro-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-fluoro-3-methoxypropan-1-amine
PubChem CID151122327
Molecular FormulaC4H10FNO
Molecular Weight107.13 g/mol
Exact Mass107.07
IUPAC Name1-fluoro-3-methoxypropan-1-amine
SMILESCOCCC(N)F
InChIInChI=1S/C4H10FNO/c1-7-3-2-4(5)6/h4H,2-3,6H2,1H3
InChIKeyMSLIEYAOVJBTBX-UHFFFAOYSA-N
XLogP0.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methoxypropan-1-amine?
The IUPAC name of 1-fluoro-3-methoxypropan-1-amine (CID 151122327) is 1-fluoro-3-methoxypropan-1-amine.
What is the SMILES notation for 1-fluoro-3-methoxypropan-1-amine?
The canonical SMILES for 1-fluoro-3-methoxypropan-1-amine is COCCC(N)F.
What is the InChIKey of 1-fluoro-3-methoxypropan-1-amine?
The InChIKey is MSLIEYAOVJBTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO/c1-7-3-2-4(5)6/h4H,2-3,6H2,1H3.
What are the key properties of 1-fluoro-3-methoxypropan-1-amine?
1-fluoro-3-methoxypropan-1-amine has a molecular weight of 107.13 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxypropan-1-amine is sourced from PubChem (CID 151122327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).